ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate

C7H8N2O5 — CID 2736482

IUPACethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)NC(=O)C1=O
InChIInChI=1S/C7H8N2O5/c1-2-14-4(10)3-9-6(12)5(11)8-7(9)13/h2-3H2,1H3,(H,8,11,13)
InChIKeyAGEBXKKZQBCBAA-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.37
Rot. Bonds3

About ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate

ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate (PubChem CID 2736482) has the molecular formula C7H8N2O5 and a molecular weight of 200.15 g/mol. Its IUPAC name is ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate
PubChem CID2736482
Molecular FormulaC7H8N2O5
Molecular Weight200.15 g/mol
Exact Mass200.04
IUPAC Nameethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)NC(=O)C1=O
InChIInChI=1S/C7H8N2O5/c1-2-14-4(10)3-9-6(12)5(11)8-7(9)13/h2-3H2,1H3,(H,8,11,13)
InChIKeyAGEBXKKZQBCBAA-UHFFFAOYSA-N
XLogP-1.37
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(2,5-dioxoimidazolidin-1-yl)acetate
CID 2512407
1-(2-Methoxyethyl)imidazolidine-2,4,5-trione
CID 16227693
3-(2-Methoxyethyl)imidazolidin-4-one
CID 83242190
Methyl 2-(2-oxoimidazolidin-1-yl)acetate
CID 84075258
Carbomethoxymethylhydantoin
CID 22993692
Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate
CID 90480645
Ethyl 2,4-dioxoimidazolidine-1-acetate
CID 10773885
Ethyl (4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)acetate
CID 14678127
Methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate
CID 28825343
Methyl 1,3-diacetylimidazolidine-2-carboxylate
CID 102113005
Methyl imidazolidin-4-one-2-carboxylate
CID 129653833
Ethyl 2-(2-tert-butyl-5-oxoimidazolidin-1-yl)acetate
CID 134894331

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate?
The IUPAC name of ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate (CID 2736482) is ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate is CCOC(=O)CN1C(=O)NC(=O)C1=O.
What is the InChIKey of ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate?
The InChIKey is AGEBXKKZQBCBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5/c1-2-14-4(10)3-9-6(12)5(11)8-7(9)13/h2-3H2,1H3,(H,8,11,13).
What are the key properties of ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate?
ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate has a molecular weight of 200.15 g/mol, XLogP of -1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 2736482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).